1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one

C9H16FNO — CID 177059634

IUPAC1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one
SMILESCCC(=O)[C@@]1(F)CNC(C)(C)C1
InChIInChI=1S/C9H16FNO/c1-4-7(12)9(10)5-8(2,3)11-6-9/h11H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyWRQROSRQIZNXJO-VIFPVBQESA-N
MW173.23 g/mol
LogP1.45
Rot. Bonds2

About 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one

1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one (PubChem CID 177059634) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one
PubChem CID177059634
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one
SMILESCCC(=O)[C@@]1(F)CNC(C)(C)C1
InChIInChI=1S/C9H16FNO/c1-4-7(12)9(10)5-8(2,3)11-6-9/h11H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyWRQROSRQIZNXJO-VIFPVBQESA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one (CID 177059634) is 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one is CCC(=O)[C@@]1(F)CNC(C)(C)C1.
What is the InChIKey of 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one?
The InChIKey is WRQROSRQIZNXJO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-7(12)9(10)5-8(2,3)11-6-9/h11H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one?
1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one has a molecular weight of 173.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one is sourced from PubChem (CID 177059634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).